On 11/4/13 3:16 AM, Ramon Valencia wrote:
Hello Dear GROMACS users,
I trying to do a MD calculation using GROMACS, but when I running pdb2gmx I
get the following error:
Fatal error:
Residue '' not found in residue topology database
I'm a beginner GROMACS user, but I want to know exactly, how add my
residues to GROMACS step by step?. My residues contain S.
The fact that pdb2gmx is finding a blank residue indicates that your input file
format is badly broken.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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